data_global _chemical_name_mineral 'Forsterite' loop_ _publ_author_name 'Takeuchi Y' 'Yamanaka T' 'Haga N' 'Hirano M' _journal_name_full 'Materials Science of the Earth's Interior' _journal_volume 1984 _journal_year 1984 _journal_page_first 191 _journal_page_last 231 _publ_section_title ; High-temperature crystallography of olivines and spinels Note: T = 950 C ; _database_code_amcsd 0014397 _chemical_formula_sum 'Mg2 Si O4' _cell_length_a 4.789 _cell_length_b 10.321 _cell_length_c 6.045 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 298.788 _exptl_crystal_density_diffrn 3.128 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Mg1 0.00000 0.00000 0.00000 0.02533 Mg2 0.99260 0.27910 0.25000 0.02495 Si 0.42680 0.09419 0.25000 0.01684 O1 0.76400 0.09140 0.25000 0.02330 O2 0.22160 0.44900 0.25000 0.02191 O3 0.28130 0.16300 0.03550 0.02394 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Mg1 0.02266 0.02968 0.02388 -0.00075 -0.00279 -0.00474 Mg2 0.02556 0.02051 0.02888 0.00125 0.00000 0.00000 Si 0.01371 0.01711 0.01962 0.00050 0.00000 0.00000 O1 0.01638 0.02536 0.02795 0.00125 0.00000 0.00000 O2 0.02266 0.01565 0.02721 -0.00025 0.00000 0.00000 O3 0.02161 0.02536 0.02462 0.00050 -0.00059 0.00537